AG003GAR

4056-73-9 | 2-ACETYL-1,3-CYCLOHEXANEDIONE

AG003GAR

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CAS Number	4056-73-9
Catalog Number	AG003GAR(AGN-PC-0JMPWL)
Chemical Name	2-ACETYL-1,3-CYCLOHEXANEDIONE
IUPAC Name	2-acetylcyclohexane-1,3-dione
InChI	InChI=1S/C8H10O3/c1-5(9)8-6(10)3-2-4-7(8)11/h8H,2-4H2,1H3
InChI Key	CHNXDYRMRBQOEF-UHFFFAOYSA-N
MDL Number	MFCD00001586
Molecular Formula	C8H10O3
Molecular Weight	154.1632
SMILES	O=C1C(C(C)=O)C(CCC1)=O
Synonyms	2-Acetyl-1,3-cyclohexanedione, 4056-73-9, 2-acetylcyclohexane-1,3-dione, 2-Acetyl-cyclohexane-1,3-dione, 1,3-Cyclohexanedione, 2-acetyl-, CHEMBL167675, CHNXDYRMRBQOEF-UHFFFAOYSA-N, ACMC-1CTSA, AC1L3C2Y, 2-acetyl-1,3-cyclohexadione, 2-acetyl1,3-cyclohexanedione, SCHEMBL170644, 1-acetyl-2,6-dioxocyclohexane, 1,3-Cyclohexanedione,2-acetyl-, CTK4I3348, DTXSID50193577, BDBM50088797, MFCD00001586, AKOS015906528, ZINC100068139, 2-Acetyl-1,3-cyclohexanedione, 98%, MCULE-5567869384, TC-171004, CS-0060856, ST50997553, X3265, Z-8544, I14-21400, D0K3BO, CHEMBL73025, C8H10O3, CID138104, 88041-67-2,

Complexity	201
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.063g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	154.165g/mol
Monoisotopic Mass	154.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	51.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
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Certificate of Analysis

Lot Number